1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine

C7H16N4 — CID 176525594

IUPAC1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine
SMILES[H]/N=C(\N)N/N=C(\C)C(C)(C)C
InChIInChI=1S/C7H16N4/c1-5(7(2,3)4)10-11-6(8)9/h1-4H3,(H4,8,9,11)/b10-5+
InChIKeySAMZZOGHXPPJJV-BJMVGYQFSA-N
MW156.23 g/mol
LogP0.89
Rot. Bonds1

About 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine

1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine (PubChem CID 176525594) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine.

Molecular Properties

Compound Name1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine
PubChem CID176525594
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine
SMILES[H]/N=C(\N)N/N=C(\C)C(C)(C)C
InChIInChI=1S/C7H16N4/c1-5(7(2,3)4)10-11-6(8)9/h1-4H3,(H4,8,9,11)/b10-5+
InChIKeySAMZZOGHXPPJJV-BJMVGYQFSA-N
XLogP0.89
TPSA74.26 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methane;1-(propan-2-ylideneamino)guanidine
CID 176546052
1-[(E)-3,3-dimethylbutan-2-ylideneamino]-3-methylguanidine
CID 176535024
1-[(E)-[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176519322
1-[[(1E)-1-(diaminomethylidenehydrazinylidene)propan-2-ylidene]amino]guanidine
CID 176528393
methyl N,N'-bis[(E)-3,3-dimethylbutan-2-ylideneamino]carbamimidothioate
CID 18528910
N-(3,3-dimethylbutan-2-ylideneamino)methanamine
CID 86118020
N-[(E)-3,3-dimethylbutan-2-ylideneamino]-2-methylpropan-2-amine
CID 18594020
1-N-[3,5-bis[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-3-N-[3-[(Z)-N-carbamimidamido-C-methylcarbonimidoyl]-5-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]-5-N-methylbenzene-1,3,5-tricarboxamide
CID 176917455
1-N,5-N-bis[3-(N-carbamimidamido-C-methylcarbonimidoyl)phenyl]-3-N-[3-[(E)-N-carbamimidamido-C-methylcarbonimidoyl]phenyl]benzene-1,3,5-tricarboxamide
CID 135431065
1-carbamimidoyl-2-(1,1-dichloroethyl)guanidine
CID 176527824
2,2-dimethylpropanimidamide;hydrochloride
CID 2781880
1-carbamimidoylguanidine;ethane;dihydrate
CID 176527155

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine?
The IUPAC name of 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine (CID 176525594) is 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine.
What is the SMILES notation for 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine?
The canonical SMILES for 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine is [H]/N=C(\N)N/N=C(\C)C(C)(C)C.
What is the InChIKey of 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine?
The InChIKey is SAMZZOGHXPPJJV-BJMVGYQFSA-N. The full InChI is InChI=1S/C7H16N4/c1-5(7(2,3)4)10-11-6(8)9/h1-4H3,(H4,8,9,11)/b10-5+.
What are the key properties of 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine?
1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine has a molecular weight of 156.23 g/mol, XLogP of 0.89, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-dimethylbutan-2-ylideneamino]guanidine is sourced from PubChem (CID 176525594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).